General
Preferred name
molnupiravir
Synonyms
EIDD-2801 ()
MK-4482 ()
EIDD 2801 ()
Molnupiravir (EIDD-2801) ()
Eidd 1931-isopropyl ester ()
P&D ID
PD126846
CAS
2349386-89-4
Tags
available
prodrug
drug
Approved by
PMDA
First approval
2021
Drug Status
investigational
approved
Max Phase
Phase 3
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Molnupiravir (EIDD-2801, MK-4482) is an oral, broad-spectrum antiviral drug . The proposed INN molnupiravir was released by the WHO in a special release to cover COVID-related therapeutics in October 2020 (Proposed INN: List 124-COVID-19). Chemically molnupiravir is the isopropylester prodrug of the ribonucleoside analogue (EIDD-1931, or N-hydroxycytidine) . Functionally, the active form of molnupiravir is incorporated into the virus' RNA by the viral RNA-dependent RNA polymerase (RdRp) during replication, which results in lethal mutagenesis . Molnupiravir was originally designed by Emory University scientists to inhibit replication of influenza virus. It has subsequently been tested for activity against other RNA viruses, including pandemic SARS-CoV-2, SARS-CoV and MERS-CoV . Molnupiravir was being progressed for COVID-19 in a collaboration between Ridgeback Biotherapeutics and Merck. In vivo therapeutic and prophylactic potential was reported in a peer reviewed manuscript in February 2021 .
There is concern that molnupiravir may induce mutations in the host, based on evidence from mammalian cell culture experiments and using the Ames test (bacteria). (GtoPdb)
There is concern that molnupiravir may induce mutations in the host, based on evidence from mammalian cell culture experiments and using the Ames test (bacteria). (GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
11
AdooQ Bioactive Compound Library
Axon Medchem Screening Library
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
Guide to Pharmacology
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Molecular Weight
329.12
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
4
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
1
cLogP
-1.72
TPSA
146.37
Fraction CSP3
0.62
Chiral centers
4.0
Largest ring
6.0
QED
0.29
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology&virology
Target
SARS-CoV
Antiviral agent
COVID-19,SARS-CoV
Source data
